9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

C24H31FN4O — CID 24873344

IUPAC9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCOc1ccc(F)cc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1
InChIInChI=1S/C24H31FN4O/c1-30-22-7-5-18(25)17-20(22)21-6-8-23(27-26-21)29-15-11-24(12-16-29)9-13-28(14-10-24)19-3-2-4-19/h5-8,17,19H,2-4,9-16H2,1H3
InChIKeyKKFXVPFSIGFWRF-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.53
Rot. Bonds4

About 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 24873344) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID24873344
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
SMILESCOc1ccc(F)cc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1
InChIInChI=1S/C24H31FN4O/c1-30-22-7-5-18(25)17-20(22)21-6-8-23(27-26-21)29-15-11-24(12-16-29)9-13-28(14-10-24)19-3-2-4-19/h5-8,17,19H,2-4,9-16H2,1H3
InChIKeyKKFXVPFSIGFWRF-UHFFFAOYSA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane (CID 24873344) is 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is COc1ccc(F)cc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1.
What is the InChIKey of 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is KKFXVPFSIGFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-30-22-7-5-18(25)17-20(22)21-6-8-23(27-26-21)29-15-11-24(12-16-29)9-13-28(14-10-24)19-3-2-4-19/h5-8,17,19H,2-4,9-16H2,1H3.
What are the key properties of 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 410.54 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 24873344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).